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Diethyl Allylphosphonate - 90%(GC), high purity , CAS No.1067-87-4

COA

Grade & Purity:

≥90%(GC)

Cas Number: 1067-87-4
Molecular Weight: 178.17
Beilstein Registry Number: 4(4)3571
MDL number: MFCD00015134
PubChem CID: 573014
PubChem SID: 504759312

In stock

Item Number

D491716

Grouped product items
SKU	Size	Availability	Price	Qty
D491716-25g	25g	3	$275.90
D491716-100g	100g	2	$824.90

Basic Description

Synonyms	Diethyl allylphosphonate \| 1067-87-4 \| 3-diethoxyphosphorylprop-1-ene \| DIETHYLALLYLPHOSPHONATE \| MFCD00015134 \| diethyl (prop-2-en-1-yl)phosphonate \| Phosphonic acid, 2-propenyl-, diethyl ester \| DIethyl-allylphosphonate \| EC 619-646-5 \| SCHEMBL209829 \| Diethyl allylphospho
Specifications & Purity	≥90%(GC)
Shipped In	Normal
Product Description	Reactant for: · Copolymerization of phosphonated allyl monomers and maleic anhydride · Enantioselective synthesis of solamin type mono-THF acetogenins · RCM reaction yielding oxaphospholene and oxaphosphinene heterocycles · Synthesis of spongistatin 2 using Wittig coupling · Stereoselective synthesis of pentacyclic furanosteroids · Preparation of protected polyhydroxylated β -amino acid constitutents of microsclerodermins

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Phosphonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Phosphonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl alkylphosphonates
Alternative Parents	Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759312
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759312
IUPAC Name	3-diethoxyphosphorylprop-1-ene
INCHI	InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
InChIKey	YPJHXRAHMUKXAE-UHFFFAOYSA-N
Smiles	CCOP(=O)(CC=C)OCC
Isomeric SMILES	CCOP(=O)(CC=C)OCC
WGK Germany	3
Molecular Weight	178.17
Beilstein	4(4)3571
Reaxy-Rn	1766603
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766603&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2320286	Certificate of Analysis	Nov 14, 2022	D491716
G2320670	Certificate of Analysis	Nov 14, 2022	D491716
G2320677	Certificate of Analysis	Nov 14, 2022	D491716
K2416011	Certificate of Analysis	Oct 27, 2022	D491716
J2219425	Certificate of Analysis	Oct 27, 2022	D491716
J2219340	Certificate of Analysis	Oct 27, 2022	D491716

Chemical and Physical Properties

Refractive Index	1.4320 to 1.4360
Flash Point(°C)	106 °C
Boil Point(°C)	46 °C/0.35 mmHg
Molecular Weight	178.170 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	178.076 Da
Monoisotopic Mass	178.076 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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